⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL12757032 | 1.00 | — | — | |
| SCHEMBL2048017 | 0.78 | MAPT (0.35) | — | |
| SCHEMBL2051963 | 0.78 | MAPT (0.44) | — | |
| SCHEMBL2051964 | 0.78 | MAPT (0.44) | — | |
| SCHEMBL2048018 | 0.78 | MAPT (0.35) | — | |
| SCHEMBL12757033 | 0.77 | — | — | |
| SCHEMBL211825 | 0.75 | — | — | |
| SCHEMBL2755829 | 0.75 | — | — | |
| SCHEMBL211824 | 0.75 | — | — | |
| SCHEMBL10840204 | 0.73 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230340011-A1 | STEROIDAL COMPOSITIONS AND METHODS OF TREATING LIPOGENIC CANCERS | Asteroid Therapeutics | 2023-10-26 | — | — | US | disclosed |
| WO-2010106071-A1 | N-HYDROXY-L-METHYL-LH-PYRAZOLE-4-CARBOXAMIDE DERIVATIVES AND THEIR USE AS MICROBIOCIDES | SYNGENTA PARTICIPATIONS AG (CH) | 2010-09-23 | — | — | WO | disclosed |